4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide

C10H19BrF2N2O2 — CID 175558583

IUPAC4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide
SMILESBr.CNC(CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H18F2N2O2.BrH/c1-13-8(9(15)16)3-6-14-5-2-4-10(11,12)7-14;/h8,13H,2-7H2,1H3,(H,15,16);1H
InChIKeyCMOWXTZSNXIUCH-UHFFFAOYSA-N
MW317.17 g/mol
LogP1.36
Rot. Bonds5

About 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide

4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide (PubChem CID 175558583) has the molecular formula C10H19BrF2N2O2 and a molecular weight of 317.17 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide
PubChem CID175558583
Molecular FormulaC10H19BrF2N2O2
Molecular Weight317.17 g/mol
Exact Mass316.06
IUPAC Name4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide
SMILESBr.CNC(CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H18F2N2O2.BrH/c1-13-8(9(15)16)3-6-14-5-2-4-10(11,12)7-14;/h8,13H,2-7H2,1H3,(H,15,16);1H
InChIKeyCMOWXTZSNXIUCH-UHFFFAOYSA-N
XLogP1.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide (CID 175558583) is 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide is Br.CNC(CCN1CCCC(F)(F)C1)C(=O)O.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide?
The InChIKey is CMOWXTZSNXIUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2.BrH/c1-13-8(9(15)16)3-6-14-5-2-4-10(11,12)7-14;/h8,13H,2-7H2,1H3,(H,15,16);1H.
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide?
4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide has a molecular weight of 317.17 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)-2-(methylamino)butanoic acid;hydrobromide is sourced from PubChem (CID 175558583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).